NP-MRD: Showing NP-Card for methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate (NP0223894)

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Record Information

Version

2.0

Created at

2022-09-06 02:07:01 UTC

Updated at

2022-09-06 02:07:01 UTC

NP-MRD ID

NP0223894

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate

Description

Methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,9bH-cyclopenta[a]naphthalen-3-yl]pentanoate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,9bH-cyclopenta[a]naphthalen-3-yl]pentanoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062204072D          

 35 37  0  0  0  0            999 V2000
   -3.0345    2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    1.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3316    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557   -0.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616    2.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165    3.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454    2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0004    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135    2.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    2.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    0.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206    2.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773    3.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    3.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4079    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    4.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    5.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    5.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 28  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv1652309062204072D          

 35 37  0  0  0  0            999 V2000
   -3.0345    2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    1.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3316    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557   -0.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616    2.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165    3.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454    2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0004    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135    2.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    2.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    0.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206    2.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773    3.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    3.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4079    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    4.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    5.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    5.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 28  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223894

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)CCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C(C)(CCC(=O)OC)C(CC3O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C29H44O6/c1-17(2)20-15-21(30)26-25(27(20,4)13-12-24(33)35-8)22(31)16-29(6)19(11-14-28(26,29)5)18(3)9-10-23(32)34-7/h18-21,30H,1,9-16H2,2-8H3

> <INCHI_KEY>
UGJXEHKMCJXGAZ-UHFFFAOYSA-N

> <FORMULA>
C29H44O6

> <MOLECULAR_WEIGHT>
488.665

> <EXACT_MASS>
488.313789137

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
55.7394300869423

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,9bH-cyclopenta[a]naphthalen-3-yl]pentanoate

> <JCHEM_LOGP>
4.1807184333333325

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.518797540871788

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0092779556226796

> <JCHEM_POLAR_SURFACE_AREA>
89.89999999999999

> <JCHEM_REFRACTIVITY>
135.21189999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,4H,7H,8H,9H-cyclopenta[a]naphthalen-3-yl]pentanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.664   4.938   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.189   3.473   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.219   2.329   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.682   3.153   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.206   1.688   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.700   1.368   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.224  -0.096   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.669   2.513   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.145   3.977   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.115   5.122   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.591   6.586   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.391   4.802   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.867   3.337   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.012   4.367   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.274   2.711   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.608   3.481   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.608   5.021   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.942   2.711   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.275   3.481   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.609   2.711   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.609   1.171   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       9.943   3.481   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.276   2.711   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.113   1.179   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.607   0.859   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.837   2.192   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.068   0.947   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.652   4.297   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.384   5.814   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.759   5.367   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.387   6.861   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.495   7.931   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -5.975   7.507   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.122   9.425   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -5.230  10.495   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   26                                                  
CONECT    9    8   10   28                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15   26                                             
CONECT   14   13                                                            
CONECT   15   13   16   24                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22                                                            
CONECT   24   15   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25    8   13   27                                             
CONECT   27   26                                                            
CONECT   28    9    4   29   30                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
Methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,3ah,4H,5H,6H,7H,8H,9H,9BH-cyclopenta[a]naphthalen-3-yl]pentanoic acid	Generator

Chemical Formula

C₂₉H₄₄O₆

Average Mass

488.6650 Da

Monoisotopic Mass

488.31379 Da

IUPAC Name

methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,9bH-cyclopenta[a]naphthalen-3-yl]pentanoate

Traditional Name

methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,4H,7H,8H,9H-cyclopenta[a]naphthalen-3-yl]pentanoate

CAS Registry Number

Not Available

SMILES

COC(=O)CCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C(C)(CCC(=O)OC)C(CC3O)C(C)=C

InChI Identifier

InChI=1S/C29H44O6/c1-17(2)20-15-21(30)26-25(27(20,4)13-12-24(33)35-8)22(31)16-29(6)19(11-14-28(26,29)5)18(3)9-10-23(32)34-7/h18-21,30H,1,9-16H2,2-8H3

InChI Key

UGJXEHKMCJXGAZ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Seco-podocarpan diterpenoid
Diterpenoid
Cyclohexenone
Fatty acid methyl ester
Fatty acid ester
Fatty acyl
Dicarboxylic acid or derivatives
Methyl ester
Secondary alcohol
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.18	ChemAxon
pKa (Strongest Acidic)	14.52	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	89.9 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	135.21 m³·mol⁻¹	ChemAxon
Polarizability	55.74 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163064745

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate (NP0223894)

MOL for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

3D MOL for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

3D SDF for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

3D-SDF for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

PDB for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

3D PDB for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

SMILES for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

INCHI for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

Structure for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)

3D Structure for NP0223894 (methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate)